2-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
Chemical Structure Depiction of
2-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
2-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
Compound characteristics
| Compound ID: | D008-0218 |
| Compound Name: | 2-[2,6,8-trioxo-10-(thiophen-2-yl)-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C20 H18 N2 O5 S3 |
| Smiles: | CC(C(O)=O)N1C(C2C3CC(C2C1=O)C1C3C(C2=C(NC(=O)S2)S1)c1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4101 |
| logD: | -2.6754 |
| logSw: | -2.2397 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.087 |
| InChI Key: | ULMQOLXBKPUMKD-UHFFFAOYSA-N |